RUI: Cycloaromatization of arenediynes

PI的小组将首先合成一些十元环烯二炔，其中烯烃是芳香环或杂环的一部分。然后利用热反应条件诱导这些分子的伯格曼环化，并测量这些反应的速率和活化能。烯炔的含烯烃组分将会改变，这样就可以通过实验研究对这些反应速率的互变异构、电荷依赖等（即电子效应）。co-PI的团队将进行高水平的计算，从理论上确定烯的电子特性与实验确定的这些反应速率之间的关系。有了这个奖项，有机和大分子化学项目支持了北肯塔基大学化学系的K.C. Russell博士和霍巴特威廉史密斯学院化学系的Carol A. Parish博士的研究。Drs。罗素和帕里什将研究一种被称为伯格曼环化的化学反应。伯格曼环化是一种化学反应，对许多抗癌抗生素的作用机制至关重要。了解改变参与这类反应的分子结构的电子效应可能有一天对理解临床化学有意义。通过本课程的培训，学生将获得实验、理论和有机化学方面的经验，并获得制药和特种化工行业所需的技能。

The PI's group will first synthesize a number of ten-membered ring enediynes where alkene is part of an aromatic ring or heterocycle. Thermal reaction conditions will then be used to induce Bergman cyclizations of these molecules and the rates and activation energies of these reactions will be measured. The alkene containing components of the endiynes will be varied so that tautomerization, charge dependence, etc (ie electronic effects) on the rates of these reactions can be studied experimentally. The co-PI's group will perform high level calculations to theoretically determine how the electronic character of the ene is related to the experimentally determined rates of these reactions.With this award, the Organic and Macromolecular Chemistry Program is supporting the research of Dr. K.C. Russell of the Department of Chemistry at Northern Kentucky University and Dr. Carol A. Parish of the Department of Chemistry at Hobart William Smith College. Drs. Russell and Parish will study a chemical reaction known as the Bergman cyclization. The Bergman cyclization is a chemical reaction which is central to the mechanism of action of a number of anticancer antibiotics. Understanding the electronic effects of changing the structures of the molecules which participates in this type of reaction may one day have revelance in understanding clinical chemistry. Students trained during the course of this work will gain experience in experimental and theoretical and organic chemistry and be aquiring skills needed by the pharmaceutical and speciality chemical industries.